ChemSpider 2D Image | {(2S,4E)-4-[(5R)-5-Methyl-5-[(4S)-4-methyltetradecyl]-2(5H)-furanylidene]-3,5-dioxotetrahydro-2-furanyl}acetic acid | C26H40O6

{(2S,4E)-4-[(5R)-5-Methyl-5-[(4S)-4-methyltetradecyl]-2(5H)-furanylidene]-3,5-dioxotetrahydro-2-furanyl}acetic acid

  • Molecular FormulaC26H40O6
  • Average mass448.592 Da
  • Monoisotopic mass448.282501 Da
  • ChemSpider ID78439987

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{(2S,4E)-4-[(5R)-5-Methyl-5-[(4S)-4-methyltetradecyl]-2(5H)-furanyliden]-3,5-dioxotetrahydro-2-furanyl}essigsäure [German] [ACD/IUPAC Name]
{(2S,4E)-4-[(5R)-5-Methyl-5-[(4S)-4-methyltetradecyl]-2(5H)-furanylidene]-3,5-dioxotetrahydro-2-furanyl}acetic acid [ACD/IUPAC Name]
2-Furanacetic acid, tetrahydro-4-[(5R)-5-methyl-5-[(4S)-4-methyltetradecyl]-2(5H)-furanylidene]-3,5-dioxo-, (2S,4E)- [ACD/Index Name]
Acide {(2S,4E)-4-[(5R)-5-méthyl-5-[(4S)-4-méthyltétradécyl]-2(5H)-furanylidène]-3,5-dioxotétrahydro-2-furanyl}acétique [French] [ACD/IUPAC Name]
(E)-lowdenic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 195.7±25.0 °C
Index of Refraction: 1.507
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 1271.07
ACD/KOC (pH 5.5): 1722.46
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 32.23
ACD/KOC (pH 7.4): 43.67
Polar Surface Area: 90 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 411.9±3.0 cm3

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